Element = Lattice = Model = Element: Cd
Lattice: hcp
Model: SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
Computed model cutoff of 4.4512860769406295 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cd

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.645158094167714, total energy = -3.570693659015027

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.645158082526176, total energy = -3.5706936590150344

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.6451580794528127, total energy = -3.5706936590150393

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.645158084481965, total energy = -3.5706936590150358

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.6451580855995473, total energy = -3.570693659015037

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.645158079452815, total energy = -3.570693659015033

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6451580820605156, total energy = -3.5706936590150358

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.6451580710709095, total energy = -3.5706936590150273

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.645158088207249, total energy = -3.5706936590150327

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6451580759137885, total energy = -3.570693659015036

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6451580877648673, total energy = -3.570693659015032

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.6451580807566617, total energy = -3.570693659015034

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.645158075261861, total energy = -3.5706936590150304

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.645158081408592, total energy = -3.5706936590150335

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.645158086786981, total energy = -3.5706936590150344

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.645158080756665, total energy = -3.570693659015036

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 3.645158085599544, total energy = -3.570693659015032

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.6451580794528127, total energy = -3.570693659015034

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.6451580818742517, total energy = -3.570693659015033

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 3.645158088734024, total energy = -3.570693659015032

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 3.645158078800887, total energy = -3.570693659015034

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.645158082526176, total energy = -3.5706936590150335

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6451580710709095, total energy = -3.570693659015024

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6451580856111825, total energy = -3.5706936590150296

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.6451580807566644, total energy = -3.570693659015029

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.6451580844819547, total energy = -3.5706936590150327

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.6451580775959878, total energy = -3.570693659015032

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.6451580794528127, total energy = -3.5706936590150335

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6451580867171267, total energy = -3.570693659015031

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 4.762014574102877 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.810079
         Iterations: 82
         Function evaluations: 170
Results for this minimization:
  a = 4.66836497021316, c = 3.9896261532894304, total energy = -3.8100790680924037

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.059640484984307 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 3.645158074962901, c = 5.952518222401331, total energy = -3.5706936590150335

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.357266395865737 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.6451580839970967, c = 5.95251826247395, total energy = -3.570693659015031

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.654892306747167 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 3.6451580842654785, c = 5.952518210016905, total energy = -3.570693659015034

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 5.9525182176285965 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.6451580794528127, c = 5.9525182176285965, total energy = -3.570693659015036

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 6.250144128510026 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.645158099172201, c = 5.95251819611301, total energy = -3.5706936590150313

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 6.547770039391456 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 3.6451580730158364, c = 5.952518261494822, total energy = -3.570693659015031

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 6.845395950272886 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 81
         Function evaluations: 169
Results for this minimization:
  a = 3.6451580787688926, c = 5.952518195845746, total energy = -3.57069365901503

Attempting to perform relaxation using initial lattice constant guess of a = [3.64515808] Angstroms and c = 7.143021861154316 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.570694
         Iterations: 81
         Function evaluations: 171
Results for this minimization:
  a = 3.645158072953344, c = 5.952518282033882, total energy = -3.57069365901503